2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid

C12H15NO4 — CID 60662044

IUPAC2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
SMILESCCN(CCO)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-2-13(7-8-14)11(15)9-5-3-4-6-10(9)12(16)17/h3-6,14H,2,7-8H2,1H3,(H,16,17)
InChIKeyWLXICIDCOIIPJA-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.84
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid

2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid (PubChem CID 60662044) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
PubChem CID60662044
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
SMILESCCN(CCO)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-2-13(7-8-14)11(15)9-5-3-4-6-10(9)12(16)17/h3-6,14H,2,7-8H2,1H3,(H,16,17)
InChIKeyWLXICIDCOIIPJA-UHFFFAOYSA-N
XLogP0.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 145108126
N-ethyl-N-(2-hydroxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547574
N-ethyl-N-(2-hydroxyethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 78884731
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
CID 61042461
N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 78855060
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid (CID 60662044) is 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid is CCN(CCO)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid?
The InChIKey is WLXICIDCOIIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-13(7-8-14)11(15)9-5-3-4-6-10(9)12(16)17/h3-6,14H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid?
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 60662044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).